Adosterol
[CAS# 55623-03-5]

Identification

• Name: Adosterol
• Synonyms: (3S,6R,8S,9S,13R,14S,17R)-17-(1,5-Dimethylhexyl)-6-(Iodomethyl)-13-Methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Ol; 19-Norcholest-5(10)-En-3-Ol, 6-(Iodomethyl)-, (3Beta,6Beta)-; 6-Iodomethylnorcholesterol
• Molecular Formula: C₂₇H₄₅IO
• Molecular Weight: 512.56
• CAS Registry Number: 55623-03-5
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)C(CCCC(C)C)C)(CC[C@@H]2C4=C([C@@H](C3)CI)C[C@@H](O)CC4)C
• InChI: 1S/C27H45IO/c1-17(2)6-5-7-18(3)25-10-11-26-24-14-19(16-28)23-15-20(29)8-9-21(23)22(24)12-13-27(25,26)4/h17-20,22,24-26,29H,5-16H2,1-4H3/t18?,19-,20-,22+,24+,25+,26-,27+/m0/s1
• InChIKey: QJHZPCLORSPENH-WJXGYAGSSA-N

Properties

• Density: 1.246g/cm³ (Cal.)
• Boiling point: 543.297°C at 760 mmHg (Cal.)
• Flash point: 282.376°C (Cal.)